[4-[[tert-butylcarbamoyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[tert-butylcarbamoyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[tert-butylcarbamoyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(tert-butylamino)-oxomethyl]-[[(2R)-2-oxolanyl]methyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[tert-butylcarbamoyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[tert-butylcarbamoyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]methyl]phenyl] ester Formula: C18H28N2O5S MolecularWeight: 384.49032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)N(CC1CCCO1)CC2=CC=C(C=C2)OS(=O)(=O)C

Isomeric SMILES

CC(C)(C)NC(=O)N(C[C@H]1CCCO1)CC2=CC=C(C=C2)OS(=O)(=O)C

InChI

InChI=1S/C18H28N2O5S/c1-18(2,3)19-17(21)20(13-16-6-5-11-24-16)12-14-7-9-15(10-8-14)25-26(4,22)23/h7-10,16H,5-6,11-13H2,1-4H3,(H,19,21)/t16-/m1/s1